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Methoxyacetonitril
2-Methoxyacetonitrile · NCCH2OCH3 · METHOXYACETONITRILE · methoxy-acetonitril · Methoxy acetonitirle · Acetonitrile,methoxy- · 2-methoxyethanenitrile · Methoxyacetonitrile>Acetonitrile, methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 1738-36-9 |
|---|---|
| Summenformel | C3H5NO |
| Durchschnittliche Molmasse | 71,08 g/mol |
| Monoisotopische Masse | 71,03711378 g/mol |
| SMILES | COCC#N |
| InChIKey | QKPVEISEHYYHRH-UHFFFAOYSA-N |
| PubChem CID | 74442 |
| ChEBI | CHEBI:234492 |
| EC No. | 217-092-5 |
| DTXSID | DTXSID2061937 |
| Lokaler Name | Methoxyacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 33 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 51,2 |
| SpringerMaterials Properties | Molecular structure |
| Schmelzpunkt | 97 °C |
| Siedepunkt | 118-119 °C/731 mmHg (lit.) |
| Dichte | 0.956 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.381(lit.) |
| Flammpunkt | 89 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Insoluble in watersoluble in Chloroform, Ethyl Acetate |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| BRN | 1738014 |
| InChI | 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3 |
| InChIKey | QKPVEISEHYYHRH-UHFFFAOYSA-N |
| SMILES | COCC#N |
| CAS Datenbank | 1738-36-9(CAS DataBase Reference) |
| NIST chemische Informationen | Methoxyacetonitrile(1738-36-9) |
| EPA chemische Informationen | Acetonitrile, methoxy- (1738-36-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Methoxyacetonitrile: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29269090 |
| R-Sätze (R) | 10-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 14-36/37 |
| Gefahrenklasse | 3.2Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Herstellung & Synthese
synthetische
Methoxyacetonitrile is prepared from Formaldehyde, Sodium Cyanide, and Dimethyl Sulfate.